SCHEMBL950479

SCHEMBL950479

COc1ccc(S(=O)(=O)n2cc(CO)c3cc(OC)ccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.73
PPARD Q03181 5/20 0.73
PPARA Q07869 5/20 0.73
HTR6 P50406 15/20 0.71
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
HTR1D P28221 1/20 0.61
HTR1B P28222 1/20 0.61
HTR1E P28566 1/20 0.61
HTR1F P30939 1/20 0.61
HTR7 P34969 1/20 0.61
DRD3 P35462 1/20 0.61
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL948776 0.94 HTR6 (0.72) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL948639 0.93 HTR6 (0.69) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL946607 0.93 HTR6 (0.69) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL950573 0.93 HTR6 (0.75) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4794709 0.91 HTR6 (0.70) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL950363 0.90 HTR6 (0.64) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL946624 0.90 PPARG (0.62) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL945681 0.88 HTR6 (0.76) PPARGPPARDPPARAHTR6
SCHEMBL946604 0.87 PPARG (0.59) PPARGPPARDPPARAHTR6HTR1A
SCHEMBL4775130 0.87 HTR6 (0.71) PPARGPPARDPPARAHTR6HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 US disclosed
EP-1581492-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Suven Life Sciences Limited (IN) 2005-10-05 EP disclosed
WO-2004048330-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C PPARG 1451/4885PPARD 1019/4885PPARA 1375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.